SCHEMBL2707254

SCHEMBL2707254

O=C1CCNC(c2ccccc2)C1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRCP P42785 2/20 0.47
GAA P10253 2/20 0.42
MAPT P10636 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
USP2 O75604 1/20 0.39
ALDH1A1 P00352 1/20 0.39
TP53 P04637 1/20 0.39
HPGD P15428 1/20 0.39
ALOX12 P18054 1/20 0.39
RAB9A P51151 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
KMT2A Q03164 2/20 0.38
LMNA P02545 1/20 0.38
MEN1 O00255 1/20 0.38
GID4 Q8IVV7 1/20 0.38
BRD4 O60885 1/20 0.37
DDB1 Q16531 1/20 0.37
CRBN Q96SW2 1/20 0.37
TSHR P16473 1/20 0.37
KDM1A O60341 1/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL29330477 1.00 PRCP (0.47) PRCPGAAMAPTSMN1; SMN2USP2
Hydrochloric Acid SCHEMBL29116032 0.98 PRCP (0.46) PRCPGAAMAPTSMN1; SMN2USP2
Hydrochloric Acid SCHEMBL29116034 0.98 PRCP (0.46) PRCPGAAMAPTSMN1; SMN2USP2
Tert-Butyl Formate SCHEMBL28064897 0.84 PRCP (0.36) PRCPGAAMAPTSMN1; SMN2USP2
SCHEMBL24366501 0.81 PRCP (0.42) PRCPGAAMAPTALDH1A1TP53
SCHEMBL5406451 0.81 PRCP (0.42) PRCPGAAMAPTALDH1A1TP53
SCHEMBL2708297 0.81 PRCP (0.42) PRCPGAAMAPTALDH1A1TP53
Hydrochloric Acid SCHEMBL3717615 0.80 PRCP (0.41) PRCPGAAMAPTALDH1A1TP53
SCHEMBL5738919 0.80 PRCP (0.60) PRCPGAAMAPTSMN1; SMN2ALDH1A1
SCHEMBL6140740 0.80 PRCP (0.60) PRCPGAAMAPTSMN1; SMN2ALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 42 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220411367-A1 ARYLMETHYLENE HETEROCYCLIC COMPOUNDS AS KV1.3 POTASSIUM SHAKER CHANNEL BLOCKERS D. E. SHAW RESEARCH, LLC 2022-12-29 US disclosed
EP-4041228-A1 ARYLMETHYLENE HETEROCYCLIC COMPOUNDS AS KV1.3 POTASSIUM SHAKER CHANNEL BLOCKERS D.E. Shaw Research, LLC (US) 2022-08-17 EP disclosed
CN-114727993-A Arylmethylene heterocyclic compounds as Kv1.3 potassium SHAKER channel blockers D·E·萧尔研究有限责任公司 2022-07-08 CN disclosed
US-20210171516-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2021-06-10 US disclosed
WO-2021071812-A1 ARYLMETHYLENE HETEROCYCLIC COMPOUNDS AS KV1.3 POTASSIUM SHAKER CHANNEL BLOCKERS D.E SHAW RESEARCH, LLC (US) 2021-04-15 WO disclosed
US-10787446-B2 Therapeutic compounds and methods of use thereof GENENTECH, INC. (US) 2020-09-29 US disclosed
US-20140378436-A9 Benzoxazepines as Inhibitors of PI3K/mTOR and Methods of Their use and Manufacture EXELIXIS, INC. (US) 2014-12-25 US disclosed
US-20140378436-A9 Benzoxazepines as Inhibitors of PI3K/mTOR and Methods of Their use and Manufacture EXELIXIS, INC. (US) 2014-12-25 US disclosed
US-20140066431-A1 Benzoxazepines as Inhibitors of PI3K/mTOR and Methods of Their Use and Manufacture EXELIXIS, INC. (US) 2014-03-06 US disclosed
US-20140066431-A1 Benzoxazepines as Inhibitors of PI3K/mTOR and Methods of Their Use and Manufacture EXELIXIS, INC. (US) 2014-03-06 US disclosed
US-20070135414-A1 Tachykinin Antagonists ALVARO GUISEPPE 2007-06-14 US disclosed
US-7196077-B2 Tachykinin antagonists GLAXO GROUP LIMITED (GB) 2007-03-27 US disclosed
CN-1117090-C N-acyl-2-substituted-4-(benzimidazolyl-or imidazopyridinyl-substituted pesidues)-piperidines as tachykinin antagonists JANSSEN PHARMACEUTICA NV (BE) 2003-08-06 CN disclosed
EP-0869955-B1 N-ACYL-2-SUBSTITUTED-4-(BENZIMIDAZOLYL- OR IMIDAZOPYRIDINYL-SUBSTITUTED RESIDUES)-PIPERIDINES AS TACHYKININ ANTAGONISTS JANSSEN PHARMACEUTICA NV (BE) 2001-10-24 EP disclosed
US-6110939-A AS A SUBSTANCE P ANTAGONISTS TREATING TACHYKININ-MEDIATED DISEASE, ASTHMA, CENTRAL NERVOUS SYSTEM DISORDER JANSSEN PHARMACEUTICA N.V. (BE) 2000-08-29 US disclosed
CN-1206414-A N-acyl-2-substituted-4- (benzimidazolyl-or imidazopyridinyl-substituted residues) piperidines as tachykinin antagonists JANSSEN PHARMACEUTICA NV (BE) 1999-01-27 CN disclosed
EP-0869955-A1 N-ACYL-2-SUBSTITUTED-4-(BENZIMIDAZOLYL- OR IMIDAZOPYRIDINYL-SUBSTITUTED RESIDUES)-PIPERIDINES AS TACHYKININ ANTAGONISTS JANSSEN PHARMACEUTICA N.V. (BE) 1998-10-14 EP disclosed
WO-1997024350-A1 N-ACYL-2-SUBSTITUTED-4-(BENZIMIDAZOLYL- OR IMIDAZOPYRIDINYL-SUBSTITUTED RESIDUES)-PIPERIDINES AS TACHYKININ ANTAGONISTS JANSSEN PHARMACEUTICA N.V. (BE) 1997-07-10 WO disclosed
US-4102669-A IN COTTON CULTURE ELI LILLY AND COMPANY (US) 1978-07-25 US disclosed
US-4065290-A Herbicidal β-phenyl-4-piperidinones ELI LILLY AND COMPANY (US) 1977-12-27 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (6 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20140378436-A9 Benzoxazepines as Inhibitors of PI3K/mTOR and Methods of Their use and Manufacture MTOR, RICTOR, PIK3CA PRCP 2647/4885GAA 752/4885MAPT 1278/4885
US-20220411367-A1 ARYLMETHYLENE HETEROCYCLIC COMPOUNDS AS KV1.3 POTASSIUM SHAKER CHANNEL BLOCKERS KCNJ2, KCNA3, KCNH3 PRCP 4352/4885GAA 2734/4885MAPT 3758/4885
US-20070135414-A1 Tachykinin Antagonists NPSR1, TACR2, NPY4R PRCP 2539/4885GAA 4794/4885MAPT 3854/4885
US-10787446-B2 Therapeutic compounds and methods of use thereof AVPR1B, C3AR1, RHEB PRCP 1092/4885GAA 2818/4885MAPT 3326/4885
US-20210171516-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF AVPR1B, C3AR1, RHEB PRCP 1092/4885GAA 2818/4885MAPT 3326/4885
US-20140066431-A1 Benzoxazepines as Inhibitors of PI3K/mTOR and Methods of Their Use and Manufacture MTOR, RICTOR, PIK3CA PRCP 2430/4885GAA 665/4885MAPT 1484/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.